CID 156962579

(5r)-5-hydroxyhexanoylcarnitine

Structural Information

Molecular Formula
C13H26NO5
SMILES
CC(CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C13H25NO5/c1-10(15)6-5-7-13(18)19-11(8-12(16)17)9-14(2,3)4/h10-11,15H,5-9H2,1-4H3/p+1
InChIKey
SEDMBVOYVWZBEK-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(5-hydroxyhexanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1811 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.18838 163.1
[M+Na]+ 299.17032 169.8
[M+NH4]+ 294.21492 167.7
[M+K]+ 315.14426 169.3
[M-H]- 275.17382 160.5
[M+Na-2H]- 297.15577 162.9
[M]+ 276.18055 163.1
[M]- 276.18165 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.